LIPID MAPS

Structure Database (LMSD)

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Common Name

Tensyuic acid D

Systematic Name

9-methoxy-3-(methoxycarbonyl)-2-methylene-9-oxononanoic acid

Synonyms

LM ID

LMFA01170156

Formula

C₁₃H₂₀O₆

Exact Mass

Calculate m/z

272.12599

Sum Composition

FA 13:3;O4

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

Biological Context

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Aspergillus niger (#5061)

Eurotiomycetes (#147545)

Absolute configuration of ceriporic acids, the iron redox-silencing metabolites produced by a selective lignin-degrading fungus, Ceriporiopsis subvermispora.,
Chem Phys Lipids, 2009

Pubmed ID: 19477313

String Representations

InChiKey (Click to copy)

UYOJPIPBTQKANX-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C13H20O6/c1-9(12(15)16)10(13(17)19-3)7-5-4-6-8-11(14)18-2/h10H,1,4-8H2,2-3H3,(H,15,16)

SMILES (Click to copy)

C(C(=C)C(C(OC)=O)CCCCCC(=O)OC)(=O)O

Other Databases

CHEBI ID

133830

PubChem CID

23652017

NP-MRD ID(NMR)

NP0007253

Calculated Physicochemical Properties

Heavy Atoms 19

Rings 0

Aromatic Rings 0

Rotatable Bonds 11

Van der Waals Molecular Volume 275.64

Topological Polar Surface Area 89.90

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 6

logP 1.54

Molar Refractivity 67.38

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Created at

19th May 2021

Updated at